SCHEMBL10995653

SCHEMBL10995653

CCOC(=O)c1nc(C)c2cccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CYP1A2 P05177 3/20 0.44
BRD4 O60885 1/20 0.44
SCN9A Q15858 1/20 0.43
LMNA P02545 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3482516 0.86 MAOB (0.43) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL10249474 0.78 POLB (0.64) HPGDKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL252983 0.77 SMN1; SMN2 (0.47) HPGDKDM4EALDH1A1HSD17B10MAOB
SCHEMBL26678225 0.75 BRD4 (0.48) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL3393412 0.75 ALDH1A1 (0.50) HPGDKDM4EALDH1A1MAOBSMN1; SMN2
SCHEMBL4932342 0.75 HCAR2 (0.50) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL28614494 0.75 NUDT1 (0.57) HPGDKDM4EALDH1A1HSD17B10MAOB
SCHEMBL4933414 0.74 TDP2 (0.46) HPGDKDM4EALDH1A1MAOBSMN1; SMN2
SCHEMBL1060409 0.74 L3MBTL1 (0.45) HPGDKDM4EALDH1A1HSD17B10MAOB
SCHEMBL8569924 0.74 BRD4 (0.47) KDM4EALDH1A1POLBMAOBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556709-A BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed